methyl 4-bromanylbutanoate; 5-thiabicyclo[2.1.0]penta-1(4),2-diene

Systemtic Name: methyl 4-bromanylbutanoate; 5-thiabicyclo[2.1.0]penta-1(4),2-diene Openeye Name: methyl 4-bromobutanoate; 5-thiabicyclo[2.1.0]penta-1(4),2-diene CAS Name: 4-bromobutanoic acid methyl ester; 5-thiabicyclo[2.1.0]penta-1(4),2-diene IUPAC Name: methyl 4-bromobutanoate; 5-thiabicyclo[2.1.0]penta-1(4),2-diene Traditional Name: 4-bromobutyric acid methyl ester; 5-thiabicyclo[2.1.0]penta-1(4),2-diene Formula: C9H11BrO2S MolecularWeight: 263.15144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCBr.C1=CC2=C1S2

Isomeric SMILES

COC(=O)CCCBr.C1=CC2=C1S2

InChI

InChI=1S/C5H9BrO2.C4H2S/c1-8-5(7)3-2-4-6;1-2-4-3(1)5-4/h2-4H2,1H3;1-2H